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EGW

Summary
Name:4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide
Formula:C25 H23 F N2 O3
Formal charge:0
Formula weight:418.46 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.64-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C25H23FN2O3/c26-21-8-4-17(5-9-21)18-12-14-28(15-13-18)25(30)20-2-1-3-23(16-20)31-22-10-6-19(7-11-22)24(27)29/h1-11,16,18H,12-15H2,(H2,27,29)
InChIKeyInChI1.03GKQVMMKXPPAKMY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1ccc(Oc2cccc(c2)C(=O)N3CCC(CC3)c4ccc(F)cc4)cc1
SMILESCACTVS3.385NC(=O)c1ccc(Oc2cccc(c2)C(=O)N3CCC(CC3)c4ccc(F)cc4)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N3CCC(CC3)c4ccc(cc4)F
SMILESOpenEye OEToolkits2.0.6c1cc(cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N3CCC(CC3)c4ccc(cc4)F

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PDB entries from 2024-07-17

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